4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide

C12H10BrFN2O3S — CID 82898480

IUPAC4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1Oc1ccc(F)cc1Br
InChIInChI=1S/C12H10BrFN2O3S/c13-9-5-7(14)1-4-11(9)19-12-6-8(20(16,17)18)2-3-10(12)15/h1-6H,15H2,(H2,16,17,18)
InChIKeyODYUGMGYESFHAW-UHFFFAOYSA-N
MW361.19 g/mol
LogP2.61
Rot. Bonds3

About 4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide

4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide (PubChem CID 82898480) has the molecular formula C12H10BrFN2O3S and a molecular weight of 361.19 g/mol. Its IUPAC name is 4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide
PubChem CID82898480
Molecular FormulaC12H10BrFN2O3S
Molecular Weight361.19 g/mol
Exact Mass359.96
IUPAC Name4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1Oc1ccc(F)cc1Br
InChIInChI=1S/C12H10BrFN2O3S/c13-9-5-7(14)1-4-11(9)19-12-6-8(20(16,17)18)2-3-10(12)15/h1-6H,15H2,(H2,16,17,18)
InChIKeyODYUGMGYESFHAW-UHFFFAOYSA-N
XLogP2.61
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-(2-bromo-4-fluorophenoxy)aniline
CID 65342586
4-amino-3-(3-bromo-4-fluorophenoxy)benzenesulfonamide
CID 83231994
4-amino-3-(4-bromo-3-fluorophenoxy)benzenesulfonamide
CID 82898332
4-bromo-2-(2-bromo-4-fluorophenoxy)-5-fluoroaniline
CID 116736386
4-amino-3-(2-methoxyphenoxy)benzenesulfonamide
CID 82899200
4-amino-3-(5-bromo-2-chlorophenoxy)benzenesulfonamide
CID 82898890
(2-bromo-4-fluorophenyl) sulfamate
CID 130674788
2-(2-bromo-4-fluorophenoxy)-4-fluoro-5-iodoaniline
CID 66100344
3-bromo-4-(4-bromo-2,5-dichlorophenoxy)benzenesulfonamide
CID 107659863
4-amino-3-(2-cyanophenoxy)benzenesulfonamide
CID 82900103
1-(2-bromo-4-methylsulfonylphenoxy)-2,4-difluorobenzene
CID 118022172
4-amino-3-(4-fluoro-3-methylphenoxy)benzenesulfonamide
CID 82900296

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide?
The IUPAC name of 4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide (CID 82898480) is 4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide is Nc1ccc(S(N)(=O)=O)cc1Oc1ccc(F)cc1Br.
What is the InChIKey of 4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide?
The InChIKey is ODYUGMGYESFHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O3S/c13-9-5-7(14)1-4-11(9)19-12-6-8(20(16,17)18)2-3-10(12)15/h1-6H,15H2,(H2,16,17,18).
What are the key properties of 4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide?
4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide has a molecular weight of 361.19 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide is sourced from PubChem (CID 82898480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).